SCHEMBL23401787

SCHEMBL23401787

Cc1ccccc1-n1nc(CC(C)C)c(O)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
TSHR P16473 1/20 0.40
KDM4E B2RXH2 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
ALPL P05186 1/20 0.38
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
HPGD P15428 2/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
C5AR1 P21730 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23398730 0.92 ALDH1A1 (0.38) ALDH1A1TSHRKDM4EL3MBTL1MAPT
SCHEMBL23401507 0.89 ALDH1A1 (0.38) ALDH1A1TSHRKDM4EL3MBTL1MAPT
SCHEMBL23400927 0.87 KDM4E (0.38) ALDH1A1TSHRKDM4EL3MBTL1MAPT
SCHEMBL23402874 0.85 ALDH1A1 (0.45) ALDH1A1TSHRKDM4EL3MBTL1MAPT
SCHEMBL23398558 0.83 CYP2C9 (0.44) ALDH1A1L3MBTL1MAPTNPSR1CA1
SCHEMBL23403466 0.83 ALDH1A1 (0.41) ALDH1A1TSHRKDM4EL3MBTL1MAPT
SCHEMBL23398412 0.83 ALDH1A1 (0.43) ALDH1A1TSHRKDM4EMAPTNPSR1
SCHEMBL23400812 0.82 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EL3MBTL1MAPT
SCHEMBL23401481 0.82 ALDH1A1 (0.42) ALDH1A1TSHRKDM4EL3MBTL1MAPT
SCHEMBL23401284 0.81 KDM4E (0.39) ALDH1A1TSHRKDM4EL3MBTL1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed